nitro(phenyl)acetonitrile

Base Information

• Chemical Name: nitro(phenyl)acetonitrile
• CAS No.: 25059-43-2
• Molecular Formula: C8H6 N2 O2
• Molecular Weight: 162.148
• Mol file: 25059-43-2.mol

Synonyms:Acetonitrile,nitrophenyl- (6CI,8CI); NSC 243711; a-Nitrophenylacetonitrile

Chemical Property of nitro(phenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.00873mmHg at 25°C
• Boiling Point: 266.3°C at 760 mmHg
• Flash Point: 114.8°C
• Density: 1.255g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of nitro(phenyl)acetonitrile

There total 4 articles about nitro(phenyl)acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(O-benzoyl-aci-nitro)-phenyl-acetonitrile (110181-15-2) → nitro-phenyl-acetonitrile (25059-43-2) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Reference yield:

2-octyl nitrate (7214-64-4) + potassium ethoxide (917-58-8) + phenylacetonitrile (140-29-4) → nitro-phenyl-acetonitrile (25059-43-2)

Guidance literature:

With diethyl ether; ethanol; Petroleum ether; at 0 ℃;

DOI:10.1021/jo01225a006

Reference yield:

1-methyl-4-nitrosobenzene (623-11-0) + (O-benzoyl-aci-nitro)-phenyl-acetonitrile (110181-15-2) → nitro-phenyl-acetonitrile (25059-43-2)

Guidance literature:

DOI:10.1021/jo01225a006

upstream raw materials:

1-methyl-4-nitrosobenzene

(O-benzoyl-aci-nitro)-phenyl-acetonitrile

2-octyl nitrate

potassium ethoxide

Downstream raw materials:

stilbene

indole

benzophenone

2-(hydroxyimino)-2-phenylacetonitrile

Refernces

SALTS OF NITRO COMPOUNDS. I. PREPARATION, ALKYLATION AND ACYLATION OF SALTS OF PHENYLNITROACETONITRILE

10.1021/jo01225a006

The study investigates the preparation, alkylation, and acylation of salts derived from phenylnitroacetonitrile, a secondary nitro compound. The researchers used various chemicals, including potassium ethoxide, d- and I-2-octyl nitrate, and benzyl cyanide, to synthesize the salts. They explored the optical properties of these salts and found that they were optically inactive, suggesting a conjugated aci-structure. In the alkylation process, the silver salt of phenylnitroacetonitrile reacted with methyl iodide to produce a nitronic ester, which was confirmed through catalytic reduction to phenylethylenediamine. The acylation process involved treating the salts with benzoyl chloride, resulting in a benzoyl derivative whose structure was established as an oxygen acylated compound through reduction to benzoic acid and phenylethylenediamine. The study provides insights into the structural preferences and reactivity of these nitro compound salts.